[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C20H20N2O6S/c1-25-15-6-12(7-16(26-2)19(15)27-3)9-21-18(23)10-28-20(24)13-4-5-14-17(8-13)29-11-22-14/h4-8,11H,9-10H2,1-3H3,(H,21,23)